4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline

C16H19FN2S — CID 63368648

IUPAC4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESC[C@@H](N)c1ccc(N(Cc2cccs2)C2CC2)c(F)c1
InChIInChI=1S/C16H19FN2S/c1-11(18)12-4-7-16(15(17)9-12)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3/t11-/m1/s1
InChIKeyZSPGQDGGBKQCNN-LLVKDONJSA-N
MW290.41 g/mol
LogP4.08
Rot. Bonds5

About 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline

4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63368648) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID63368648
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESC[C@@H](N)c1ccc(N(Cc2cccs2)C2CC2)c(F)c1
InChIInChI=1S/C16H19FN2S/c1-11(18)12-4-7-16(15(17)9-12)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3/t11-/m1/s1
InChIKeyZSPGQDGGBKQCNN-LLVKDONJSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
CID 61449250
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
1-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81431527
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-fluorophenyl]ethanol
CID 61434878
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 63368648) is 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline is C[C@@H](N)c1ccc(N(Cc2cccs2)C2CC2)c(F)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is ZSPGQDGGBKQCNN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11(18)12-4-7-16(15(17)9-12)19(13-5-6-13)10-14-3-2-8-20-14/h2-4,7-9,11,13H,5-6,10,18H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 290.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63368648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).